CID 25216346

1100748-67-1

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCCCN2CC3=CC=CC=C3)CC1
InChI
InChI=1S/C21H32N2O2/c1-20(2,3)25-19(24)22-15-12-21(13-16-22)11-7-8-14-23(21)17-18-9-5-4-6-10-18/h4-6,9-10H,7-8,11-17H2,1-3H3
InChIKey
JVOCUYAQMDVMEQ-UHFFFAOYSA-N
Compound name
tert-butyl 1-benzyl-1,9-diazaspiro[5.5]undecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 187.7
[M+Na]+ 367.23559 198.1
[M+NH4]+ 362.28019 196.2
[M+K]+ 383.20953 189.5
[M-H]- 343.23909 191.0
[M+Na-2H]- 365.22104 194.7
[M]+ 344.24582 190.2
[M]- 344.24692 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.